TDR Targets

Basic information

Technical information

TDR Targets ID: 106696
Name: N-[[(5S)-3-[3-fluoro-4-[(E)-2-pyridin-3-yleth enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl ]acetamide
MW: 355.363 | Formula: C19H18FN3O3
H donors: 1 H acceptors: 3 LogP: 2.14 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)/C=C/c1cccnc1
InChi: 1S/C19H18FN3O3/c1-13(24)22-11-17-12-23(19(25)26-17)16-7-6-15(18(20)9-16)5-4-14-3-2-8-21-10-14/h2-10,17H,11-12H2,1H3,(H,22,24)/b5-4+/t17-/m0/s1
InChiKey: ZRVUSLASTYWYHX-BDUNBXCCSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

N-[[(5S)-3-[3-fluoro-4-[(E)-2-(3-pyridyl)vinyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
N-[[(5S)-3-[3-fluoro-4-[(E)-2-(3-pyridyl)vinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
N-[[(5S)-3-[3-fluoro-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanamide
N-[[(5S)-3-[3-fluoro-4-[(E)-2-(3-pyridyl)vinyl]phenyl]-2-keto-oxazolidin-5-yl]methyl]acetamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	death associated protein kinase 1	0.0799	0.2196	0.6904
Leishmania major	protein kinase, putative	0.0068	0.0029	1
Schistosoma mansoni	protein kinase C mu	0.0271	0.0631	0.1911
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.028	0.0656	0.2062
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0372	0.0929	0.0929
Toxoplasma gondii	AGC kinase	0.0372	0.0929	1
Schistosoma mansoni	hypothetical protein	0.0166	0.0318	0.0918
Schistosoma mansoni	hypothetical protein	0.0262	0.0602	0.1819
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0602	0.0602
Echinococcus multilocularis	protein kinase c epsilon type	0.0807	0.2219	0.6976
Brugia malayi	Variant SH3 domain containing protein	0.0262	0.0602	0.2618
Onchocerca volvulus		0.306	0.8898	1
Trichomonas vaginalis	AGC family protein kinase	0.0372	0.0929	1
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0372	0.0929	0.0929
Schistosoma mansoni	serine/threonine protein kinase	0.0271	0.0631	0.1911
Echinococcus multilocularis	geminin	0.0166	0.0318	0.1001
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0068	0.0029	1
Trichomonas vaginalis	AGC family protein kinase	0.0372	0.0929	1
Echinococcus multilocularis	protein kinase c iota type	0.0727	0.1982	0.6231
Schistosoma mansoni	serine/threonine protein kinase	0.1132	0.3181	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0372	0.0929	0.292
Trichomonas vaginalis	AGC family protein kinase	0.0372	0.0929	1
Brugia malayi	Protein kinase domain containing protein	0.0372	0.0929	0.4109
Brugia malayi	protein kinase C3,putative	0.0365	0.0909	0.4018
Echinococcus granulosus	Protein kinase C brain isozyme	0.1132	0.3181	1
Echinococcus granulosus	protein kinase c iota type	0.0727	0.1982	0.6231
Schistosoma mansoni	serine/threonine protein kinase	0.0262	0.0602	0.1819
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.028	0.0656	0.2062
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0262	0.0602	0.1893
Schistosoma mansoni	serine/threonine protein kinase	0.0807	0.2219	0.6948
Brugia malayi	diacylglycerol kinase	0.0262	0.0602	0.2618
Echinococcus multilocularis	cyclin dependent kinase 19	0.0137	0.0232	0.073
Schistosoma mansoni	serine/threonine protein kinase	0.0137	0.0232	0.0645
Trichomonas vaginalis	AGC family protein kinase	0.0372	0.0929	1
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0372	0.0929	0.0929
Onchocerca volvulus		0.0262	0.0602	0.0391
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0068	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.048	0.125	0.125
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0508	0.1332	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0602	0.0602
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0271	0.0631	0.0631
Schistosoma mansoni	serine/threonine protein kinase	0.1132	0.3181	1
Loa Loa (eye worm)	CMGC/CDK/CDK8 protein kinase	0.0137	0.0232	0.0232
Schistosoma mansoni	protein kinase C mu	0.0262	0.0602	0.1819
Echinococcus granulosus	cyclin dependent kinase 19	0.0137	0.0232	0.073
Entamoeba histolytica	protein kinase, putative	0.0372	0.0929	1
Trichomonas vaginalis	AGC family protein kinase	0.0372	0.0929	1
Echinococcus granulosus	protein kinase C gamma type	0.087	0.2406	0.7562
Loa Loa (eye worm)	hypothetical protein	0.306	0.8898	0.8898
Trichomonas vaginalis	AGC family protein kinase	0.0372	0.0929	1
Brugia malayi	C1-like domain containing protein	0.0271	0.0631	0.275
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0602	0.0602
Schistosoma mansoni	unc-13 (munc13)	0.028	0.0656	0.1989
Echinococcus multilocularis	unc 13 (munc13)	0.028	0.0656	0.2062
Trichomonas vaginalis	AGC family protein kinase	0.0372	0.0929	1
Brugia malayi	Protein kinase domain containing protein	0.0372	0.0929	0.4109
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0602	0.0602
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0372	0.0929	0.292
Brugia malayi	Protein kinase domain containing protein	0.0372	0.0929	0.4109
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0265	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0602	0.0602
Brugia malayi	Protein kinase domain containing protein	0.0271	0.0631	0.275
Trichomonas vaginalis	AGC family protein kinase	0.0372	0.0929	1
Trichomonas vaginalis	AGC family protein kinase	0.0372	0.0929	1
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0262	0.0602	0.0602
Entamoeba histolytica	diacylglycerol kinase, putative	0.0262	0.0602	0.4664
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0372	0.0929	0.292
Loa Loa (eye worm)	hypothetical protein	0.028	0.0656	0.0656
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0602	0.0602
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0372	0.0929	0.292
Plasmodium falciparum	protein serine/threonine kinase-1	0.0068	0.0029	0.5
Brugia malayi	Ras association domain family 1 isoform A	0.0262	0.0602	0.2618
Schistosoma mansoni	serine/threonine protein kinase	0.0372	0.0929	0.2855
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0271	0.0631	0.275
Echinococcus granulosus	dual specificity protein kinase clk2	0.0068	0.0029	0.0091
Schistosoma mansoni	rac gtpase activating protein	0.0262	0.0602	0.1819
Onchocerca volvulus		0.0262	0.0602	0.0391
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0262	0.0602	0.0602
Echinococcus granulosus	myotubularin protein 13	0.0262	0.0602	0.1893
Onchocerca volvulus		0.028	0.0656	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0602	0.0602
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0068	0.0029	0.0187
Echinococcus granulosus	serine:threonine protein kinase N2	0.0165	0.0317	0.0996
Entamoeba histolytica	protein kinase, putative	0.0372	0.0929	1
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0262	0.0602	0.0602
Brugia malayi	diacylglycerol kinase	0.0262	0.0602	0.2618
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0271	0.0631	0.1984
Leishmania major	protein kinase, putative	0.0068	0.0029	1
Brugia malayi	protein kinase C II.	0.0807	0.2219	1
Brugia malayi	hypothetical protein	0.0148	0.0265	0.1078
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0271	0.0631	0.1984
Brugia malayi	p70 ribosomal S6 kinase beta	0.0372	0.0929	0.4109
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.1132	0.3181	1
Toxoplasma gondii	diacylglycerol kinase, putative	0.0262	0.0602	0.637
Trichomonas vaginalis	AGC family protein kinase	0.0372	0.0929	1
Trichomonas vaginalis	AGC family protein kinase	0.0372	0.0929	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0527	0.139	0.4369
Plasmodium vivax	serine/threonine kinase-1, putative	0.0068	0.0029	0.5
Echinococcus granulosus	RNA directed DNA polymerase	0.048	0.125	0.3929
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0262	0.0602	0.1893
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0068	0.0029	0.0187
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0362	0.09	0.9678
Echinococcus multilocularis	RNA directed DNA polymerase	0.048	0.125	0.3929
Echinococcus multilocularis	serine threonine protein kinase	0.087	0.2406	0.7562
Echinococcus multilocularis	N chimaerin	0.0262	0.0602	0.1893
Brugia malayi	RhoGAP domain containing protein	0.0262	0.0602	0.2618
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0372	0.0929	0.0929
Brugia malayi	Protein kinase domain containing protein	0.0137	0.0232	0.0928
Brugia malayi	Hr1 repeat family protein	0.0372	0.0929	0.4109
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0068	0.0029	1
Schistosoma mansoni	serine/threonine kinase	0.0372	0.0929	0.2855
Loa Loa (eye worm)	hypothetical protein	0.306	0.8898	0.8898
Echinococcus granulosus	Diacylglycerol kinase theta	0.0262	0.0602	0.1893
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0372	0.0929	0.292
Giardia lamblia	Kinase, CMGC CLK	0.0068	0.0029	0.5
Echinococcus granulosus	protein kinase c epsilon type	0.0807	0.2219	0.6976
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0068	0.0029	1
Schistosoma mansoni	diacylglycerol kinase theta	0.0262	0.0602	0.1819
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0372	0.0929	0.0929
Schistosoma mansoni	protein kinase C	0.028	0.0656	0.1989
Schistosoma mansoni	serine/threonine protein kinase	0.0372	0.0929	0.2855
Echinococcus granulosus	unc 13 munc13	0.028	0.0656	0.2062
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0372	0.0929	0.0929
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0262	0.0602	0.1893
Echinococcus granulosus	geminin	0.0166	0.0318	0.1001
Schistosoma mansoni	vav2	0.0262	0.0602	0.1819
Schistosoma mansoni	diacylglycerol kinase theta	0.0262	0.0602	0.1819
Loa Loa (eye worm)	hypothetical protein	0.306	0.8898	0.8898
Brugia malayi	Protein kinase c protein 2	0.077	0.2108	0.9493
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0372	0.0929	0.292
Entamoeba histolytica	hypothetical protein	0.0262	0.0602	0.4664
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0372	0.0929	0.292
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0068	0.0029	0.0091
Entamoeba histolytica	protein kinase, putative	0.0372	0.0929	1
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0807	0.2219	0.2219
Brugia malayi	RhoGEF domain containing protein	0.0262	0.0602	0.2618
Schistosoma mansoni	unc-13 (munc13)	0.028	0.0656	0.1989
Brugia malayi	Pleckstrin Homology Domain	0.0262	0.0602	0.2618
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0262	0.0602	0.1819
Echinococcus granulosus	N chimaerin	0.0262	0.0602	0.1893
Schistosoma mansoni	serine/threonine protein kinase	0.0372	0.0929	0.2855
Entamoeba histolytica	protein kinase, putative	0.0372	0.0929	1
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0372	0.0929	1
Echinococcus multilocularis	myotubularin protein 13	0.0262	0.0602	0.1893
Brugia malayi	RhoGAP domain containing protein	0.0262	0.0602	0.2618
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0068	0.0029	1
Schistosoma mansoni	hypothetical protein	0.0166	0.0318	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0602	0.0602
Echinococcus granulosus	NDR protein kinase	0.0372	0.0929	0.292
Schistosoma mansoni	serine/threonine protein kinase	0.0372	0.0929	0.2855
Schistosoma mansoni	serine/threonine protein kinase	0.0271	0.0631	0.1911
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0602	0.0602
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.048	0.125	0.3929
Entamoeba histolytica	diacylglycerol kinase, putative	0.0262	0.0602	0.4664
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0262	0.0602	0.1893
Loa Loa (eye worm)	hypothetical protein	0.3322	0.9673	0.9673
Loa Loa (eye worm)	hypothetical protein	0.0742	0.2025	0.2025
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0372	0.0929	0.0929
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0372	0.0929	0.0929
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0262	0.0602	0.1893
Echinococcus granulosus	protein kinase c eta type	0.0262	0.0602	0.1893
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0262	0.0602	0.0602
Echinococcus granulosus	Rac GTPase activating protein 1	0.0262	0.0602	0.1893
Loa Loa (eye worm)	raf kinase	0.0262	0.0602	0.0602
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0262	0.0602	0.1819
Echinococcus multilocularis	protein kinase c eta type	0.0262	0.0602	0.1893
Loa Loa (eye worm)	gastrulation defective protein 1	0.0127	0.0203	0.0203
Echinococcus granulosus	raf serine:threonine protein kinase	0.0262	0.0602	0.1893
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0372	0.0929	0.292
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0372	0.0929	0.292
Schistosoma mansoni	atypical protein kinase C	0.0734	0.2002	0.6261

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 7.8 uM	Inhibition of mitochondrial protein synthesis (MPS) in rat heart mitochondria	ChEMBL.	12127518
IC50 (binding)	= 59 uM	Inhibition of Monoamine oxidase B in rat primary hepatocytes	ChEMBL.	12127518
IC50 (binding)	= 59 uM	Inhibition of Monoamine oxidase B in rat primary hepatocytes	ChEMBL.	12127518
MIC (functional)	= 2 ug ml-1	Minimum inhibitory concentration measured against S. epidermidis	ChEMBL.	12127518
MIC (functional)	= 2 ug ml-1	Minimum inhibitory concentration measured against E. faecium	ChEMBL.	12127518
MIC (functional)	= 4 ug ml-1	Minimum inhibitory concentration measured against S. aureus	ChEMBL.	12127518
MIC (functional)	= 16 ug ml-1	Minimum inhibitory concentration measured against Moraxella catarrhalis	ChEMBL.	12127518
MIC (functional)	= 16 ug ml-1	Minimum inhibitory concentration measured against Streptococcus pneumoniae	ChEMBL.	12127518

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL63456
PubChem: 9968540

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 106696